5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide

C27H21FN4O4 — CID 143805213

IUPAC5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
SMILESCc1cc(Nc2ncnc3ccc(-c4ccc(C(=O)NO)o4)cc23)ccc1OCc1cccc(F)c1
InChIInChI=1S/C27H21FN4O4/c1-16-11-20(6-8-23(16)35-14-17-3-2-4-19(28)12-17)31-26-21-13-18(5-7-22(21)29-15-30-26)24-9-10-25(36-24)27(33)32-34/h2-13,15,34H,14H2,1H3,(H,32,33)(H,29,30,31)
InChIKeyAOGYYGXFQCVWNY-UHFFFAOYSA-N
MW484.49 g/mol
LogP5.78
Rot. Bonds7

About 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide

5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide (PubChem CID 143805213) has the molecular formula C27H21FN4O4 and a molecular weight of 484.49 g/mol. Its IUPAC name is 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
PubChem CID143805213
Molecular FormulaC27H21FN4O4
Molecular Weight484.49 g/mol
Exact Mass484.15
IUPAC Name5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
SMILESCc1cc(Nc2ncnc3ccc(-c4ccc(C(=O)NO)o4)cc23)ccc1OCc1cccc(F)c1
InChIInChI=1S/C27H21FN4O4/c1-16-11-20(6-8-23(16)35-14-17-3-2-4-19(28)12-17)31-26-21-13-18(5-7-22(21)29-15-30-26)24-9-10-25(36-24)27(33)32-34/h2-13,15,34H,14H2,1H3,(H,32,33)(H,29,30,31)
InChIKeyAOGYYGXFQCVWNY-UHFFFAOYSA-N
XLogP5.78
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.49
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
CID 71072748
1-[4-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]piperazin-1-yl]ethanone
CID 73355586
N,N-diethyl-2-[3-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]pyrrol-1-yl]acetamide
CID 143748772
6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]-N-hydroxyhexanamide
CID 24944682
methyl 6-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]hexanoate
CID 69008001
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[1-(methylamino)-2-methylsulfinylethyl]furan-2-yl]quinazolin-4-amine
CID 67002325
1-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]-2-methylsulfonylethane-1,1-diol
CID 71124229
acetic acid;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
CID 71584952
2-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethyl-oxosulfanium
CID 174069350
2-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide
CID 51348454
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
6-[5-[[[(E)-but-2-enyl]amino]methyl]furan-2-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
CID 90196894

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide?
The IUPAC name of 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide (CID 143805213) is 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide?
The canonical SMILES for 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide is Cc1cc(Nc2ncnc3ccc(-c4ccc(C(=O)NO)o4)cc23)ccc1OCc1cccc(F)c1.
What is the InChIKey of 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide?
The InChIKey is AOGYYGXFQCVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O4/c1-16-11-20(6-8-23(16)35-14-17-3-2-4-19(28)12-17)31-26-21-13-18(5-7-22(21)29-15-30-26)24-9-10-25(36-24)27(33)32-34/h2-13,15,34H,14H2,1H3,(H,32,33)(H,29,30,31).
What are the key properties of 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide?
5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide has a molecular weight of 484.49 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide is sourced from PubChem (CID 143805213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).